Nanotech 2011 Vol. 2
Nanotech 2011 Vol. 2
Nanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational

Nano & Micro: Computational Methods, Simulation & Software Tools Chapter 9

Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic Simulations

Authors: Y. Kadiri, D. Simon, G. Picard

Affilation: Ahuntsic College, Canada

Pages: 631 - 634

Keywords: nano crystalline cellulose, structural and optical properties, large-scale parallel molecular dynamics

Abstract:
Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in solid films were investigated by large-scale parallel molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. Our calculations give a good description of the self-organization of NCC in liquid solution and in solid films and allow us to question the NCC nematic structure theory and propose an alternative structure theory.

Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic Simulations

ISBN: 978-1-4398-7139-3
Pages: 854
Hardcopy: $199.95